Understanding the properties of dithienylethenes functionalized for supramolecular self-assembly: a molecular modeling study - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Physical Chemistry Chemical Physics Année : 2020

Understanding the properties of dithienylethenes functionalized for supramolecular self-assembly: a molecular modeling study

Résumé

The behaviour of light-responsive supramolecular assemblies is rationalized with the help of molecular dynamics and TD-DFT calculations.

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Chimie
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Dates et versions

hal-04232321 , version 1 (07-10-2023)

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Laura Le Bras, Roxanne Berthin, Ismaïl Hamdi, Maroua Louati, Stéphane Aloïse, et al.. Understanding the properties of dithienylethenes functionalized for supramolecular self-assembly: a molecular modeling study. Physical Chemistry Chemical Physics, 2020, 22 (13), pp.6942-6952. ⟨10.1039/C9CP06590C⟩. ⟨hal-04232321⟩
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